1-(5-fluoro-1H-indazol-4-yl)ethanamine

C9H10FN3 — CID 135336846

IUPAC1-(5-fluoro-1H-indazol-4-yl)ethanamine
SMILESCC(N)c1c(F)ccc2[nH]ncc12
InChIInChI=1S/C9H10FN3/c1-5(11)9-6-4-12-13-8(6)3-2-7(9)10/h2-5H,11H2,1H3,(H,12,13)
InChIKeyLXYVUGXJPUMDBQ-UHFFFAOYSA-N
MW179.20 g/mol
LogP1.72
Rot. Bonds1

About 1-(5-fluoro-1H-indazol-4-yl)ethanamine

1-(5-fluoro-1H-indazol-4-yl)ethanamine (PubChem CID 135336846) has the molecular formula C9H10FN3 and a molecular weight of 179.20 g/mol. Its IUPAC name is 1-(5-fluoro-1H-indazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(5-fluoro-1H-indazol-4-yl)ethanamine
PubChem CID135336846
Molecular FormulaC9H10FN3
Molecular Weight179.20 g/mol
Exact Mass179.09
IUPAC Name1-(5-fluoro-1H-indazol-4-yl)ethanamine
SMILESCC(N)c1c(F)ccc2[nH]ncc12
InChIInChI=1S/C9H10FN3/c1-5(11)9-6-4-12-13-8(6)3-2-7(9)10/h2-5H,11H2,1H3,(H,12,13)
InChIKeyLXYVUGXJPUMDBQ-UHFFFAOYSA-N
XLogP1.72
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1H-Indazol-6-amine
CID 81423
1H-Indazol-5-amine
CID 88012
1H-Indazole
CID 9221
1H-indazol-7-amine
CID 88901
3-methyl-1H-indazole
CID 820804
5-Iodo-1H-indazole
CID 21894739
6-(trifluoromethyl)-1H-indazole
CID 21455599
7-Methyl-1H-indazole
CID 820797
4-Methyl-1H-indazole
CID 820806
3-(1H-Pyrazol-3-yl)aniline
CID 2735398
4-iodo-1H-indazole
CID 24728219
3-(4-Fluorophenyl)-1H-pyrazole
CID 688691

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1H-indazol-4-yl)ethanamine?
The IUPAC name of 1-(5-fluoro-1H-indazol-4-yl)ethanamine (CID 135336846) is 1-(5-fluoro-1H-indazol-4-yl)ethanamine.
What is the SMILES notation for 1-(5-fluoro-1H-indazol-4-yl)ethanamine?
The canonical SMILES for 1-(5-fluoro-1H-indazol-4-yl)ethanamine is CC(N)c1c(F)ccc2[nH]ncc12.
What is the InChIKey of 1-(5-fluoro-1H-indazol-4-yl)ethanamine?
The InChIKey is LXYVUGXJPUMDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3/c1-5(11)9-6-4-12-13-8(6)3-2-7(9)10/h2-5H,11H2,1H3,(H,12,13).
What are the key properties of 1-(5-fluoro-1H-indazol-4-yl)ethanamine?
1-(5-fluoro-1H-indazol-4-yl)ethanamine has a molecular weight of 179.20 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1H-indazol-4-yl)ethanamine is sourced from PubChem (CID 135336846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).